N-ethyl-1H-pyrazole-4-carboxamide

C6H9N3O — CID 43582334

IUPACN-ethyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O/c1-2-7-6(10)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyDVQUWQRFWJVHIN-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.16
Rot. Bonds2

About N-ethyl-1H-pyrazole-4-carboxamide

N-ethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582334) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-ethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1H-pyrazole-4-carboxamide
PubChem CID43582334
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-ethyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O/c1-2-7-6(10)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyDVQUWQRFWJVHIN-UHFFFAOYSA-N
XLogP0.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1H-pyrazole-4-carboxamide (CID 43582334) is N-ethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1H-pyrazole-4-carboxamide is CCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-ethyl-1H-pyrazole-4-carboxamide?
The InChIKey is DVQUWQRFWJVHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-7-6(10)5-3-8-9-4-5/h3-4H,2H2,1H3,(H,7,10)(H,8,9).
What are the key properties of N-ethyl-1H-pyrazole-4-carboxamide?
N-ethyl-1H-pyrazole-4-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).